2,4,6-trimethylbenzenesulfonate; 1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine

Systemtic Name: 2,4,6-trimethylbenzenesulfonate; 1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine Openeye Name: 2,4,6-trimethylbenzenesulfonate; 1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine CAS Name: 2,4,6-trimethylbenzenesulfonate; 1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine IUPAC Name: 2,4,6-trimethylbenzenesulfonate; 1,7,8-trimethyl-5H-pyrido[4,3-b]indol-2-ium-2-amine Traditional Name: 2,4,6-trimethylbesylate; (1,7,8-trimethyl-5H-pyrid[4,3-b]indol-2-ium-2-yl)amine Formula: C23H27N3O3S MolecularWeight: 425.54378

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(C=C2C(=C1)C3=C(N2)C=C[N+](=C3C)N)C

Isomeric SMILES

CC1=CC(=C(C(=C1)C)S(=O)(=O)[O-])C.CC1=C(C=C2C(=C1)C3=C(N2)C=C[N+](=C3C)N)C

InChI

InChI=1S/C14H15N3.C9H12O3S/c1-8-6-11-13(7-9(8)2)16-12-4-5-17(15)10(3)14(11)12;1-6-4-7(2)9(8(3)5-6)13(10,11)12/h4-7H,15H2,1-3H3;4-5H,1-3H3,(H,10,11,12)